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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-112600
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'B', 'O']
  • Chemical System: B-Ca-O-Y
  • Density: 3.750812049127399
  • Atomic Density: 0.07758649887357746
  • Unit Cell Volume: 360.8875307754809
  • Molar Volume: 7.761841103067065
  • Full Formula: Ca4 Y4 B4 O16
  • Reduced Formula: CaYBO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm